3,4-Heptadecanedione
TL;DR: 3,4-Heptadecanedione (CAS 5452-62-0) is a chemical compound with molecular formula C17H32O2 and molecular weight 268.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptadecane-3,4-dione
Also Known As: 3,4-Heptadecanedione, heptadecane-3,4-dione
| Molecular Formula | C17H32O2 |
|---|---|
| Molecular Weight | 268.24 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Exact Mass | 268.24023 |
| Heavy Atoms | 19 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 5452-62-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)C(=O)CC |
| InChIKey | UOELRXDXUATFCT-UHFFFAOYSA-N |
Product Overview
3,4-Heptadecanedione (CAS 5452-62-0), with molecular formula C17H32O2 and molecular weight 268.24 g/mol. IUPAC: heptadecane-3,4-dione.
Chemical Property Profile of 3,4-Heptadecanedione
Property Insights of 3,4-Heptadecanedione
The XLogP value of 6.3 indicates that 3,4-Heptadecanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 3,4-Heptadecanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Heptadecanedione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Heptadecanedione?
The CAS number of 3,4-Heptadecanedione is 5452-62-0.
What is the molecular formula of 3,4-Heptadecanedione?
The molecular formula of 3,4-Heptadecanedione is C17H32O2.
What is the molecular weight of 3,4-Heptadecanedione?
The molecular weight of 3,4-Heptadecanedione is 268.24 g/mol.
Where can I buy 3,4-Heptadecanedione?
You can request a quote for 3,4-Heptadecanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Heptadecanedione?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Heptadecanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.